N-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]methanesulfonamide

Systemtic Name: N-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]methanesulfonamide Openeye Name: N-(2,5-dimethylphenyl)-N-[(1S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]methanesulfonamide CAS Name: N-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]methanesulfonamide IUPAC Name: N-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]methanesulfonamide Traditional Name: N-(2,5-dimethylphenyl)-N-[(1S)-2-keto-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl]methanesulfonamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C)C(=O)N2CC[NH+](CC2)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N([C@@H](C)C(=O)N2CC[NH+](CC2)C)S(=O)(=O)C

InChI

InChI=1S/C17H27N3O3S/c1-13-6-7-14(2)16(12-13)20(24(5,22)23)15(3)17(21)19-10-8-18(4)9-11-19/h6-7,12,15H,8-11H2,1-5H3/p+1/t15-/m0/s1